Sugi Predict

Sugi Predict / Compounds / SCHEMBL6903259

SCHEMBL6903259

SCHEMBL6903259

CC(=O)OCc1cccc(C)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.63
▸ MAOB P27338 5/20 0.58
▸ IDO1 P14902 2/20 0.56
▸ MMP2 P08253 1/20 0.56
▸ MMP9 P14780 1/20 0.56
▸ MMP12 P39900 1/20 0.56
▸ POLB P06746 1/20 0.52
▸ LMNA P02545 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.47
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.47
▸ MAOA P21397 1/20 0.46
▸ CTBP2 P56545 1/20 0.46
▸ ELANE P08246 1/20 0.46
▸ IDH1 O75874 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
M-Xylene SCHEMBL9686508 0.98 ALDH1A1 (0.61) ALDH1A1MAOBIDO1MMP2MMP9
SCHEMBL6709375 0.88 ALDH1A1 (0.73) ALDH1A1MAOBCYP3A4KMT2AIDH1
SCHEMBL3763603 0.87 IDO1 (0.58) MAOBIDO1MMP2MMP9MMP12
SCHEMBL9685714 0.85 ALDH1A1 (0.47) ALDH1A1MAOBIDO1MMP2MMP9
SCHEMBL20267801 0.85 IDO1 (0.60) ALDH1A1MAOBIDO1MMP2MMP9
SCHEMBL2535662 0.84 HSP90AA1 (0.59) ALDH1A1MAOBIDO1MMP2MMP9
SCHEMBL7656159 0.84 IDO1 (0.59) MAOBIDO1MMP2MMP9MMP12
SCHEMBL11237868 0.84 ALDH1A1 (0.61) ALDH1A1MAOBIDO1MMP2MMP9
SCHEMBL2385123 0.83 ALDH1A1 (0.66) ALDH1A1CYP3A4CTBP2IDH1
SCHEMBL10724696 0.83 MAOB (0.52) ALDH1A1MAOBIDO1MMP2MMP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10788754-B2 Pattern forming method and electronic device manufacturing method FUJIFILM CORPORATION (JP) 2020-09-29 — — US disclosed
US-10202378-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 — — US disclosed
US-20180120705-A1 PATTERN FORMING METHOD AND ELECTRONIC DEVICE MANUFACTURING METHOD FUJIFILM CORPORATION (JP) 2018-05-03 — — US disclosed
WO-2016123391-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-08-04 — — WO disclosed
US-8309563-B2 Quinazoline derivatives useful as anti-tumor medicament SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2012-11-13 — — US disclosed
US-8309563-B2 Quinazoline derivatives useful as anti-tumor medicament SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2012-11-13 — — US disclosed
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 — — US disclosed
US-8044063-B2 Quinazoline derivatives useful as anti-tumor medicament SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2011-10-25 — — US disclosed
US-8044063-B2 Quinazoline derivatives useful as anti-tumor medicament SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2011-10-25 — — US disclosed
US-20110245246-A1 Quinazoline Derivatives Useful as Anti-Tumor Medicament SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2011-10-06 — — US disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 — — US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 — — US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 — — US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 — — US disclosed
EP-1043304-B1 Method for producing (hydroxyalkyl)alicyclic carboxylic acids and intermediates therefor NIPPON CATALYTIC CHEM IND (JP) 2004-02-25 — — EP disclosed
US-6444843-B1 CATALYTIC OXIDATION NIPPON SHOKUBAI CO., LTD. (JP) 2002-09-03 — — US disclosed
EP-1043304-A1 Method for producing (hydroxyalkyl)alicyclic carboxylic acids and intermediates therefor Nippon Shokubai Co., Ltd. (JP) 2000-10-11 — — EP disclosed
US-6054472-A IMMUNOSUPPRESSION, TREATING TRANSPLANT REJECTION WITH MERIMEPODIB VERTEX PHARMACEUTICALS, INCORPORATED (US) 2000-04-25 — — US disclosed
US-5078838-A By electrochemical anodic oxidation of benzyl derivatives in the presence of an aliphatic alcohol BASF AKTIENGESELLSCHAFT (DE) 1992-01-07 — — US disclosed
US-4784985-A PERFUMES BASF AKTIENGESELLSCHAFT (DE) 1988-11-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070191447-A1 Novel heterocyclic compound OPRD1, GRIN3A, GRM3 ALDH1A1 1154/4885MAOB 627/4885IDO1 1932/4885
US-10202378-B2 Therapeutic compounds and uses thereof TAF1, TAF1L, TAF1B ALDH1A1 2132/4885MAOB 3339/4885IDO1 4472/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885MAOB 186/4885IDO1 28/4885
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA ALDH1A1 2088/4885MAOB 102/4885IDO1 2316/4885
US-20110245246-A1 Quinazoline Derivatives Useful as Anti-Tumor Medicament TP53, NQO2, TOP1 ALDH1A1 1393/4885MAOB 2182/4885IDO1 80/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.